Abstract

Quantitative structure-retention relationships (QSRR) and quantitative structure-activity relationships (QSAR) have been used to study the chromatographic behavior and antibacterial activity of different substituted benzimidazole derivatives active against Erwinia carotovora subsp. carotovora . Linear correlations were found between retention constants, R M 0 , and partition coefficients, log P , calculated by use of different software products (log P Hyper , CS log P , mi log P , A log P , IA log P , C log P , log P Kow , and X log P ). A high-quality three-variable QSRR model was derived between R M 0 and lipophilicity log P Kow , hydration energy, and molar volume. A QSAR model was obtained between antibacterial activity and hydration energy, molar refractivity, and CS log P . The developed QSRR and QSAR models were cross-validated by the high Q 2 values obtained by the leave-one-out method.

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